1,3-bis(2-pyridylmethylthio)propane | 221296-33-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1,3-bis(2-pyridylmethylthio)propane
• 英文别名: bis(2-pyridylmethyl)-1,3-propanedithiol；1,7-bis(2'-pyridyl)-2,6-dithiaheptane；1,2-bis(2-pyridylmethylthio)propane；1,3-Bis(2-pyridylmethylthio)-propane；2-[3-(pyridin-2-ylmethylsulfanyl)propylsulfanylmethyl]pyridine
• CAS: 221296-33-9
• 化学式: C₁₅H₁₈N₂S₂
• 分子量: 290.453
• InChiKey: BLSWPBRPANWEEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-bis(2-pyridylmethylthio)propane 以 乙醇 、 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Nikles; Powers; Urbach, Inorganic Chemistry, 1983, vol. 22, # 22, p. 3210 - 3217

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3-丙二硫醇 、 2-氯甲基吡啶盐酸盐 在 sodium 作用下， 以 甲醇 为溶剂， 反应 18.17h， 以96%的产率得到1,3-bis(2-pyridylmethylthio)propane
  参考文献：
  名称：

  具有S 2 N 2型四齿配体的高旋转Ni（II）配合物催化均相电催化和光催化氢逸出的机理研究。

  摘要：

  我们报告了均质的电催化和光催化H 2的演化，使用了两个带有S 2 N 2型四齿配体的Ni（II）配合物，它们带有两个不同尺寸的螯合环作为催化剂。具有五元SC 2 S–Ni螯合环（1）的Ni（II）络合物在电催化和光催化H 2方面均比具有六元SC 3 S–Ni螯合环（2）的具有更高的活性。尽管两种复合物都显示出相同的还原潜力，但仍能保持进化。在电化学测量中观察到Ni中心从Ni（II）逐步还原为Ni（0）。第一个还原反应是纯电子转移反应，形成了Ni（I）络合物，这已通过电子自旋共振测量得到证实；第二个还原反应是1e – / 1H +质子偶联的电子转移反应，得到了假定的Ni（II）-氢（Ni II -H）物种。我们还澄清了Ni（II）配合物可以充当电催化H 2演化的均相催化剂，其中配合物1表现出比2更高的反应性。在使用[Ru（bpy）3 ]的光催化系统中2+作为光敏剂和抗坏血酸钠作为还原剂，复杂

  DOI：

  10.1021/acs.inorgchem.8b00881

文献信息

• Coordination behavior of pyridylmethylthioether system with cupric chloride and cupric bromide: CS bond cleavage and crystal structures
  作者：Sandipan Sarkar、Sourav Dey、Titas Mukherjee、Ennio Zangrando、Mike G.B. Drew、Pabitra Chattopadhyay

  DOI：10.1016/j.molstruc.2010.06.042

  日期：2010.9

  with copper(II) chloride and copper(II) bromide have been studied in different chemical environments. Copper(II) chloride assisted C S bond cleavage of the organic moieties leading to the formation of copper(II) picolinate derivatives, whereas, under similar experimental conditions, no C S bond cleavage was observed in the reaction with copper(II) bromide. The resulted copper(II) complexes isolated

  摘要 具有 N2S2 供体组 [L 1 = 1,2-双（2-吡啶甲硫基）乙烷，L 2 = 1,3-双（2-吡啶甲硫基）丙烷和 L 3 = 1,4-双(2-吡啶基甲硫基)丁烷]与氯化铜 (II) 和溴化铜 (II) 在不同的化学环境中进行了研究。氯化铜 (II) 辅助有机部分的 CS 键断裂，导致形成吡啶甲酸铜 (II) 衍生物，而在类似的实验条件下，在与溴化铜 (II) 的反应中未观察到 CS 键断裂。从不同介质中分离得到的铜 (II) 配合物已通过光谱和 X 射线晶体学工具进行了表征。
• Synthesis, crystal structure and reactivity of copper(II) complexes of tetradentate N2S2 donor ligands
  作者：Sandipan Sarkar、Hena Paul、Michael G.B. Drew、Ennio Zangrando、Pabitra Chattopadhyay

  DOI：10.1016/j.molstruc.2009.06.004

  日期：2009.9

  Abstract Two new hexa-coordinated mononuclear copper(II) complexes of two ligands L1 and L2 containing NSSN donor sets formulated as [Cu(L)(H2O)2](NO3)2 [1a, L = 1,2-bis(2-pyridylmethylthio)ethane (L1), 1b L = 1,3-bis(2-pyridyl-methylthio)propane (L2)] were synthesized and characterized by physico-chemical and spectroscopic methods. In 1a the single crystal X-ray crystallography analysis showed a distorted

  摘要 含有 NSSN 供体组的两个配体 L1 和 L2 的两种新的六配位单核铜 (II) 配合物被公式化为 [Cu(L)(H2O)2](NO3)2 [1a, L = 1,2-bis(2) -吡啶基甲硫基)乙烷 (L1), 1b L = 1,3-双 (2-吡啶基-甲硫基) 丙烷 (L2)] 合成并通过物理化学和光谱方法表征。在 1a 中，单晶 X 射线晶体学分析显示铜 (II) 离子的八面体几何结构扭曲。晶体堆积证明成对的复合物围绕对称中心排列，并通过水配体和硝酸根阴离子之间发生的 H 键连接。在与氯化物和拟卤化物（N3-和 SCN-）反应时，在乙腈中室温下，配合物 1 变为单阳离子五配位单核铜（II）物质，配制成 [Cu(L)(Cl)] (2)， [Cu(L)(N3)] (3), [Cu(L)(SCN)] (4)。这些铜 (II) 配合物已从反应混合物中以纯形式分离出来，并通过物理化学和光谱工具进行表征。通过
• Syntheses, crystal structures, and DNA-binding of some nickel(II) complexes of 1,3-bis(2-pyridylmethylthio)propane and pseudohalides
  作者：Animesh Patra、Supriti Sen、Sandipan Sarkar、Ennio Zangrando、Pabitra Chattopadhyay

  DOI：10.1080/00958972.2012.732697

  日期：2012.12.10

  A series of neutral octahedral nickel(II) complexes of 1,3-bis(2-pyridylmethylthio)propane (L) and pseudohalide (X), formulated as [Ni-II(L)X-2] (where X = azide (1), cyanate (2), and isothiocyanate (3)), was synthesized. The complexes were characterized by physico-chemical and spectroscopic methods, and 1 and 3 also by single-crystal X-ray diffraction analyses. The structural study shows nickel in a distorted octahedral geometry comprised of the tetradentate NSSN ligand with trans pyridines and monocoordinated pseudohalides in cis positions. In dimethylformamide solution, the complexes had quasi-reversible Ni-II/Ni-III redox couples in cyclic voltammograms with E-1/2 values of +0.732, +0.747, and +0.815 V for 1, 2, and 3, respectively. To examine the biological activities of these complexes, interaction of 3 with calf thymus DNA was studied spectroscopically, showing groove-binding interaction.
• Spectral and redox behavior of some copper(II) complexes with tetradentate bis(pyridyl)-dithioether ligands
  作者：D.E. Nikles、M.J. Powers、F.L. Urbach

  DOI：10.1016/s0020-1693(00)95485-9

  日期：1979.1
• Zinc(II) complexes of 1,3-bis(2-pyridylmethylthio)propane: Anion dependency, crystal structure and DNA binding study
  作者：Animesh Patra、Sandipan Sarkar、Titas Mukherjee、Ennio Zangrando、Pabitra Chattopadhyay

  DOI：10.1016/j.poly.2011.08.025

  日期：2011.11

  Zinc(II) complexes of the formula [Zn(L)(X)(2)] (where X = Cl-, N-3(-), NCO- and SCN- (1a-d, respectively)) and [Zn(L)(ClO4)(H2O)](ClO4)}(n) (2), were isolated in the pure form on the reaction of 1,3-bis(2-pyridylmethylthio)propane (L) with different zinc(II) salts. All the complexes were characterized by physicochemical and spectroscopic tools. The X-ray crystallographic analyses of the complexes id and 2 showed that the former is mononuclear while complex 2 is a 1D coordination polymer, [Zn(L)(ClO4)(H2O)](ClO4)}(n) due to a different coordination mode of the tetradentate ligand L. The zinc(II) ions present an octahedral coordination geometry in both compounds, which is more distorted in the mononuclear complex 1d. The study indicates that the counter anion of the zinc(II) salt used as reactant leads to a different type of complex when isolated as a crystalline material. A spectroscopic study of the interaction of complex, 2 with calf thymus-DNA (CT-DNA) in Tris-HCl buffer showed a significant non-intercalative interaction with a binding constant (K-b) of 4.7 x 10(4) M-1, and the linear Stern-Volmer quenching constant (K-sv) and the binding sites (n) were found to be 1.3 x 10(3) and 0.92 respectively, calculated from ethidium bromide (EB) fluorescence displacement experiments. (C) 2011 Elsevier Ltd. All rights reserved.